General Information of the Compound
| Compound ID |
CP0461933
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| Compound Name |
2-[2-(3-ethoxy-3-oxopropyl)sulfanylbenzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C14H16N2O4S
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| Molecular Weight |
308.359
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| Canonical SMILES |
CCOC(=O)CCSc1nc2ccccc2n1CC(O)=O
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| InChI |
InChI=1S/C14H16N2O4S/c1-2-20-13(19)7-8-21-14-15-10-5-3-4-6-11(10)16(14)9-12(17)18/h3-6H,2,7-9H2,1H3,(H,17,18)
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| InChIKey |
FNPDZVOGUDMIEU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound